Drug General Information
Drug ID
D0MC4U
Former ID
DNC008602
Drug Name
Exiguamine A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529405]
Formula
C25H26N5O6+
Canonical SMILES
CN1C(=O)C2(C3=C(C4=C5CC[N+](C5=CC(=C4O2)O)(C)C)C(=O)C6=<br />C(C3=O)C(=CN6)CCN)N(C1=O)C
InChI
1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1/t25-/m0/s1
InChIKey
UEKKREMMIOJMRO-VWLOTQADSA-O
PubChem Compound ID
Target and Pathway
Target(s) Indoleamine 2,3-dioxygenase Target Info Inhibitor [529405]
BioCyc Pathway Superpathway of tryptophan utilization
Tryptophan degradation
L-kynurenine degradation
Tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde
NAD de novo biosynthesis
KEGG Pathway Tryptophan metabolism
Metabolic pathways
African trypanosomiasis
NetPath Pathway TSLP Signaling Pathway
IL5 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway Tryptophan Metabolism
Reactome Tryptophan catabolism
WikiPathways Tryptophan metabolism
Metabolism of amino acids and derivatives
References
Ref 529405J Med Chem. 2008 May 8;51(9):2634-7. Epub 2008 Apr 8.Synthesis of indoleamine 2,3-dioxygenase inhibitory analogues of the sponge alkaloid exiguamine A.
Ref 529405J Med Chem. 2008 May 8;51(9):2634-7. Epub 2008 Apr 8.Synthesis of indoleamine 2,3-dioxygenase inhibitory analogues of the sponge alkaloid exiguamine A.